2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid

C12H12N2O2 — CID 84681728

IUPAC2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCn1c(C2CC2)c(C(=O)O)c2cccnc21
InChIInChI=1S/C12H12N2O2/c1-14-10(7-4-5-7)9(12(15)16)8-3-2-6-13-11(8)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyBGCLLOJHTZAVDL-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.15
Rot. Bonds2

About 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid

2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid (PubChem CID 84681728) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
PubChem CID84681728
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
SMILESCn1c(C2CC2)c(C(=O)O)c2cccnc21
InChIInChI=1S/C12H12N2O2/c1-14-10(7-4-5-7)9(12(15)16)8-3-2-6-13-11(8)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyBGCLLOJHTZAVDL-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84670204
(2-cyclopentyl-1-methylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84692905
1-methyl-4-(4-methylpiperazin-1-yl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524636
6-cyclopropyl-5-phenylpyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 166104245
2-benzyl-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 175115180
methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 175615221
2-(2-cyclopropyl-1-methylpyrrolo[3,2-b]pyridin-3-yl)acetic acid
CID 84693471
2-cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 164614546
5-(1,2-dimethylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxylic acid
CID 163269618
2-cyclopentyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84693470
1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 142589954
6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid
CID 174844364

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid (CID 84681728) is 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid is Cn1c(C2CC2)c(C(=O)O)c2cccnc21.
What is the InChIKey of 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is BGCLLOJHTZAVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-14-10(7-4-5-7)9(12(15)16)8-3-2-6-13-11(8)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid?
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 84681728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).